Manganese in the structure of Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex (pdb 2wqp)

The binding sites of Manganese atom in the structure of Crystal Structure of Sialic Acid Synthase Neub-Inhibitor Complex (pdb code 2wqp). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2wqp structure was solved by F.LIU, H.J.LEE, N.C.J.STRYNADKA, M.E.TANNER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.8 Space group P21212 a (A) 58.619 b (A) 75.744 c (A) 77.361 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.3 Rfree (%) 19.6 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2wqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2wqp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu25, A: Tyr186, A: Ser213, A: His215, A: Glu234, A: His236, A: Wqp1350, A: Hoh2193, A: Hoh2203, A: Hoh2312, conact list: Atom Atom Distance (A) Mn OE1 A:Glu25 4.54 Mn CG A:Glu25 4.83 Mn CE2 A:Tyr186 4.46 Mn OH A:Tyr186 4.51 Mn OG A:Ser213 4.00 Mn NE2 A:His215 2.12 Mn ND1 A:His215 4.14 Mn CD2 A:His215 3.22 Mn CE1 A:His215 2.97 Mn CG A:His215 4.30 Mn OE2 A:Glu234 3.99 Mn NE2 A:His236 2.42 Mn ND1 A:His236 4.48 Mn CD2 A:His236 3.19 Mn CE1 A:His236 3.47 Mn CG A:His236 4.39 Mn OAW A:Wqp1350 2.61 Mn OAE A:Wqp1350 4.65 Mn OAA A:Wqp1350 4.01 Mn CAQ A:Wqp1350 4.94 Mn PAD A:Wqp1350 3.43 Mn OAC A:Wqp1350 2.19 Mn CAM A:Wqp1350 4.66 Mn CAO A:Wqp1350 4.05 Mn CAN A:Wqp1350 3.49 Mn OAH A:Wqp1350 3.76 Mn CAP A:Wqp1350 3.58 Mn O A:Hoh2193 3.18 Mn O A:Hoh2203 4.53 Mn O A:Hoh2312 2.16 interactive model: